2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine

C17H22ClFN4O — CID 119111178

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CNCc2ncc[nH]2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C17H22ClFN4O/c1-12-11-23(7-8-24-12)15(9-20-10-16-21-5-6-22-16)17-13(18)3-2-4-14(17)19/h2-6,12,15,20H,7-11H2,1H3,(H,21,22)
InChIKeyUSGDNMYGDVSGLD-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 119111178) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID119111178
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CNCc2ncc[nH]2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C17H22ClFN4O/c1-12-11-23(7-8-24-12)15(9-20-10-16-21-5-6-22-16)17-13(18)3-2-4-14(17)19/h2-6,12,15,20H,7-11H2,1H3,(H,21,22)
InChIKeyUSGDNMYGDVSGLD-UHFFFAOYSA-N
XLogP2.75
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine (CID 119111178) is 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine is CC1CN(C(CNCc2ncc[nH]2)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is USGDNMYGDVSGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O/c1-12-11-23(7-8-24-12)15(9-20-10-16-21-5-6-22-16)17-13(18)3-2-4-14(17)19/h2-6,12,15,20H,7-11H2,1H3,(H,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 352.84 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 119111178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).